REMARK Name = BDB011742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.188 -0.651 1.307 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.299 -1.756 1.108 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.029 -1.641 0.483 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -0.722 -2.821 0.303 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -0.273 -4.062 0.746 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.957 -4.164 1.369 0.00 0.00 +0.002 A ATOM 7 N LIG 1 -0.483 -0.400 -0.040 0.00 0.00 -0.267 N ATOM 8 C LIG 1 -0.071 0.836 0.439 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -0.085 1.864 -0.246 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 0.344 0.881 1.910 0.00 0.00 +0.247 C ATOM 11 C LIG 1 1.735 -3.023 1.543 0.00 0.00 +0.025 A ATOM 12 C LIG 1 1.786 0.440 2.072 0.00 0.00 +0.250 C ATOM 13 O LIG 1 2.547 0.989 2.893 0.00 0.00 -0.273 OA ENDROOT BRANCH 10 14 ATOM 14 N LIG 1 0.290 2.303 2.296 0.00 0.00 -0.295 N ATOM 15 H LIG 1 0.917 2.895 1.763 0.00 0.00 +0.150 HD ATOM 16 C LIG 1 -0.826 2.911 2.824 0.00 0.00 +0.231 C ATOM 17 O LIG 1 -1.830 2.283 3.159 0.00 0.00 -0.274 OA BRANCH 16 18 ATOM 18 C LIG 1 -0.718 4.464 2.841 0.00 0.00 +0.135 C ATOM 19 C LIG 1 0.572 4.962 3.493 0.00 0.00 +0.033 C BRANCH 18 20 ATOM 20 N LIG 1 -1.858 5.086 3.560 0.00 0.00 -0.320 NA ATOM 21 H LIG 1 -2.111 5.946 3.075 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -2.652 4.447 3.467 0.00 0.00 +0.119 HD ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 10 14 BRANCH 1 23 ATOM 23 C LIG 1 3.639 -0.806 1.122 0.00 0.00 +0.153 C BRANCH 23 25 ATOM 24 C LIG 1 3.608 -0.405 -1.375 0.00 0.00 +0.125 A ATOM 25 C LIG 1 4.045 -1.213 -0.295 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.904 -2.330 -0.548 0.00 0.00 -0.010 A ATOM 27 C LIG 1 5.244 -2.632 -1.893 0.00 0.00 -0.017 A ATOM 28 C LIG 1 6.112 -3.692 -2.191 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.668 -4.468 -1.181 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.346 -4.202 0.139 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.734 -1.859 -2.938 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.480 -3.152 0.451 0.00 0.00 +0.009 A ATOM 33 C LIG 1 3.924 -0.755 -2.684 0.00 0.00 +0.046 A BRANCH 24 35 ATOM 34 C LIG 1 2.485 1.606 -2.070 0.00 0.00 +0.277 C ATOM 35 O LIG 1 2.915 0.731 -1.036 0.00 0.00 -0.495 OA ENDBRANCH 24 35 ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 7 36 ATOM 36 C LIG 1 -1.306 -0.407 -1.263 0.00 0.00 +0.120 C BRANCH 36 37 ATOM 37 C LIG 1 -2.796 0.049 -1.108 0.00 0.00 -0.012 C ATOM 38 C LIG 1 -2.919 1.595 -0.998 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -4.385 2.046 -0.956 0.00 0.00 -0.010 C ATOM 40 C LIG 1 -5.055 1.420 0.279 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -4.990 -0.113 0.183 0.00 0.00 -0.010 C ATOM 42 C LIG 1 -5.721 -0.563 -1.095 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -5.043 0.049 -2.331 0.00 0.00 -0.010 C ATOM 44 C LIG 1 -5.100 1.582 -2.234 0.00 0.00 +0.007 C ATOM 45 C LIG 1 -3.517 -0.567 0.120 0.00 0.00 +0.012 C ATOM 46 C LIG 1 -3.575 -0.401 -2.381 0.00 0.00 +0.012 C ENDBRANCH 36 37 ENDBRANCH 7 36 TORSDOF 8